| SpectraBase Compound ID | 8s91Lp58oVq |
|---|---|
| InChI | InChI=1S/C15H22O/c1-9(2)15-13-7-10(3)5-6-12(13)11(4)8-14(15)16/h7,11-13H,5-6,8H2,1-4H3/t11-,12+,13+/m1/s1 |
| InChIKey | QUSMBBMIOONIAC-AGIUHOORSA-N |
| Mol Weight | 218.34 g/mol |
| Molecular Formula | C15H22O |
| Exact Mass | 218.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E10GFnkeIY4 |
|---|---|
| Name | Amorpha-4,7(11)-dien-8-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.167065327 u |
| Formula | C15H22O |
| InChI | InChI=1S/C15H22O/c1-9(2)15-13-7-10(3)5-6-12(13)11(4)8-14(15)16/h7,11-13H,5-6,8H2,1-4H3/t11-,12+,13+/m1/s1 |
| InChIKey | QUSMBBMIOONIAC-AGIUHOORSA-N |
| Molecular Weight | 218.340 g/mol |
| SMILES | CC1=C[C@]2([H])C(=C(C)C)C(=O)C[C@@](C)([C@]2([H])CC1)[H] |